4-butyl-2-ethyl-7-[[(1-methylimidazol-2-yl)methyl-(phenylmethyl)amino]-oxidanyl-methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one

Systemtic Name: 4-butyl-2-ethyl-7-[[(1-methylimidazol-2-yl)methyl-(phenylmethyl)amino]-oxidanyl-methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one Openeye Name: 7-[[benzyl-[(1-methylimidazol-2-yl)methyl]amino]-hydroxy-methyl]-4-butyl-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one CAS Name: 4-butyl-2-ethyl-7-[hydroxy-[(1-methyl-2-imidazolyl)methyl-(phenylmethyl)amino]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one IUPAC Name: 7-[[benzyl-[(1-methylimidazol-2-yl)methyl]amino]-hydroxymethyl]-4-butyl-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one Traditional Name: 7-[[benzyl-[(1-methylimidazol-2-yl)methyl]amino]-hydroxy-methyl]-4-butyl-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one Formula: C28H37N5O2 MolecularWeight: 475.62568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C=CC(=C2)C(N(CC3=CC=CC=C3)CC4=NC=CN4C)O)NC(C1=O)CC

Isomeric SMILES

CCCCN1CC2=C(C=CC(=C2)C(N(CC3=CC=CC=C3)CC4=NC=CN4C)O)NC(C1=O)CC

InChI

InChI=1S/C28H37N5O2/c1-4-6-15-32-19-23-17-22(12-13-25(23)30-24(5-2)28(32)35)27(34)33(18-21-10-8-7-9-11-21)20-26-29-14-16-31(26)3/h7-14,16-17,24,27,30,34H,4-6,15,18-20H2,1-3H3